Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | STS | P08842 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16020243 | 0.87 | CYP2D6 (0.47) | CYP2C19CYP1A2CYP2D6CA1CA2 | |
| SCHEMBL18561117 | 0.87 | ALDH1A1 (0.39) | CYP2C19CYP1A2CYP2D6PDK1PDK2 | |
| SCHEMBL18561115 | 0.85 | ELANE (0.46) | CYP2C19CYP1A2CYP2D6STSELANE | |
| SCHEMBL20008914 | 0.83 | PDK1 (0.32) | CYP2C19CYP1A2CYP2D6PDK1PDK2 | |
| SCHEMBL20008933 | 0.83 | CYP1A2 (0.33) | CYP2C19CYP1A2CYP2D6ELANEMAPT | |
| SCHEMBL16020246 | 0.80 | GABBR2 (0.41) | HPGDPOLBMAPTGAA | |
| SCHEMBL18561116 | 0.80 | ELANE (0.44) | CA1CA2CA12CA9CA14 | |
| SCHEMBL19846363 | 0.79 | CA12 (0.32) | CA1CA2CA12CA9CA14 | |
| SCHEMBL16020250 | 0.78 | PTPRC (0.45) | CYP2C19CYP1A2CYP2D6HPGDLMNA | |
| SCHEMBL14473935 | 0.76 | ADRB2 (0.47) | CA1CA2LMNAPOLBMAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180085019-A1 | ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-29 | — | — | US | disclosed |